Fundamentals of Vibronic Spectroscopy
Copyright © 2008 by John A. Shelnutt. All rights reserved.
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John A. Shelnutt

Part A.
Chapter 1:  Introduction and Background

1.1 Quantum Mechanics
1.2 Background
1.3 Postulate I of Quantum Theory
1.4 Vector Spaces
1.5 Hilbert Space
1.6 Function Space
1.7 Postulate II of Quantum Theory
1.8 Linear Operators
1.9 Eigenvalues and Eigenvectors
1.10 Postulate IV of Quantum Theory
1.11 Postulate V of Quantum Theory
1.12 Compatible observables
1.13 Heisenberg Uncertainty Principle
1.14 Alternative Postulates of Quantum Theory
1.15 Postulate III of Quantum Theory
1.16 Time Evolution Operator
1.17 Constants of Motion
1.18 Hamiltonian of a Molecule

Chapter 2:  Interaction Hamiltonian for a Radiation Field with a Molecule

2.1 Classical Mechanics
2.2 Reformulations of Classical Equations of Motion
2.3 Energy Formulation of the Equation of Motion
2.4 Lagrange’s Equations of Motion
2.5 Hamilton’s Equations of Motion and the Hamiltonian
2.6 Electrodynamics and Maxwell’s Equations
2.7 Classical Hamiltonian of a Charged Particle Interacting with an Electromagnetic Field
2.8 The Quantum Mechanical Hamiltonian Operator for a Charged Particle in a Field
2.9 The Hamiltonian of a Molecule in an Electromagnetic Field
2.10 Gauge Invariance and the Electromagnetic Wave Equations
2.11 The Hamiltonian of the Free Electromagnetic Field
2.12 Quantum Harmonic Oscillators and the Electromagnetic Field
2.13 The Hamiltonian of a Molecule in an Electromagnetic Field

Chapter 3:  Perturbative Treatment of the Interaction Hamiltonian

3.1 Perturbation Theory and Time Evolution of the System
3.2 Transition Probabilities
3.3 Evaluation of the Matrix Elements of the Interaction
3.4 The Long Wavelength Approximation
3.5 The Dipole Approximation
3.6 Absorption Spectroscopy
3.7 Fermi’s Golden Rule
3.8 Two-Photon Absorption Spectroscopy
3.9 Spontaneous Raman Spectroscopy
3.10 Resonance Fluorescence
3.11 The Raman Scattering Tensor

Chapter 4:  The Molecular Energy Eigenstates

4.1 The Born-Oppenheimer approximation
4.2 Adiabatic Born-Oppenheimer Approximation
4.3 The Crude Born-Oppenheimer Approximation
4.4 The Electronic States
4.5 Vibrational States (Harmonic Oscillator)
4.6 Vibronic Coupling and the Approximate Vibronic States

Chapter 5:  Vibronic Spectroscopy

5.1 UV-Visible Absorption Spectra with Vibrational Structure
5.2 Intensity Borrowing in Absorption Spectra
5.3 Infrared Absorption Spectra
5.4 Vibrational Raman Scattering Tensor
5.5 Rayleigh Scattering
5.6 Stokes Raman Scattering
5.7 Interference Effects and Intensity Borrowing in Resonance Raman Spectra
5.8 Anti-Stokes Raman Scattering
5.9 Overtones and Combination Line Raman Intensities
5.10 Non-resonance Raman Scattering (incomplete)
5.11 Multi-mode Phenomena (incomplete)

Part B.
Chapter 6:  Solutions for the Radiation Field

6.1 Plane Waves
6.2 Wave Packets

Chapter 7:  Dissipative Phenomena and Line Widths

Chapter 8:  Transformations and Averaging in the Laboratory Frame

And more...